4-[3-(6-aminopurin-9-yl)propylamino]-6-methoxy-quinazoline-5,8-dione

Systemtic Name: 4-[3-(6-aminopurin-9-yl)propylamino]-6-methoxy-quinazoline-5,8-dione Openeye Name: 4-[3-(6-aminopurin-9-yl)propylamino]-6-methoxy-quinazoline-5,8-dione CAS Name: 4-[3-(6-aminopurin-9-yl)propylamino]-6-methoxyquinazoline-5,8-dione IUPAC Name: 4-[3-(6-aminopurin-9-yl)propylamino]-6-methoxyquinazoline-5,8-dione Traditional Name: 4-(3-adenin-9-ylpropylamino)-6-methoxy-quinazoline-5,8-quinone Formula: C17H16N8O3 MolecularWeight: 380.36074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C2=C(C1=O)C(=NC=N2)NCCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

COC1=CC(=O)C2=C(C1=O)C(=NC=N2)NCCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H16N8O3/c1-28-10-5-9(26)12-11(14(10)27)16(22-6-20-12)19-3-2-4-25-8-24-13-15(18)21-7-23-17(13)25/h5-8H,2-4H2,1H3,(H2,18,21,23)(H,19,20,22)