2-[(12-methylbenzo[a]anthracen-7-yl)methylamino]-3,7-dihydropurin-6-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=CC=CC=C13)CNC4=NC(=O)C5=C(N4)N=CN5)C=CC6=CC=CC=C62

Isomeric SMILES

CC1=C2C(=C(C3=CC=CC=C13)CNC4=NC(=O)C5=C(N4)N=CN5)C=CC6=CC=CC=C62

InChI

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