6-Acetylhomopterin

AlkaPlorer ID: AK269912

Synonym: 6-Acetyl-2-amino-1,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one, Quench spot 

IUPAC Name: 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one

Structure

SMILES: CC(=O)C1=NC2=C(N=C(N)NC2=O)NCC1

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InChI: InChI=1S/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)

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InChIKey: XEAAIJWYCBLWNK-UHFFFAOYSA-N

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Reference

PubChem CID: 135398683

CAS: 80003-63-0

COCONUT: CNP0329305

Source

Species Genus Family Order Class Phylum Kingdom Domain
Drosophila melanogaster Drosophila Drosophilidae Diptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 221.22

TPSA: 113.23

MolLogP: -0.1708000000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001994 CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1>>CC(=O)C1=Nc2c(nc(N)[nH]c2=O)NCC1 R03984
AKRT002207 CC(=O)C1=Nc2c(nc(N)[nH]c2=O)NCC1>>CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1 R03984