2-azanyl-7-[(7-methylbenzo[a]anthracen-12-yl)methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-7-[(7-methylbenzo[a]anthracen-12-yl)methyl]-3H-purin-6-one Openeye Name: 2-amino-7-[(7-methylbenzo[a]anthracen-12-yl)methyl]-3H-purin-6-one CAS Name: 2-amino-7-[(7-methyl-12-benzo[a]anthracenyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-7-[(7-methylbenzo[a]anthracen-12-yl)methyl]-3H-purin-6-one Traditional Name: 2-amino-7-[(7-methylbenz[a]anthracen-12-yl)methyl]-3H-purin-6-one Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)CN5C=NC6=C5C(=O)N=C(N6)N

Isomeric SMILES

CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)CN5C=NC6=C5C(=O)N=C(N6)N

InChI

InChI=1S/C25H19N5O/c1-14-16-7-4-5-9-19(16)20(21-17(14)11-10-15-6-2-3-8-18(15)21)12-30-13-27-23-22(30)24(31)29-25(26)28-23/h2-11,13H,12H2,1H3,(H3,26,28,29,31)