7-[(7-methylbenzo[a]anthracen-12-yl)methyl]purin-6-amine

Systemtic Name: 7-[(7-methylbenzo[a]anthracen-12-yl)methyl]purin-6-amine Openeye Name: 7-[(7-methylbenzo[a]anthracen-12-yl)methyl]purin-6-amine CAS Name: 7-[(7-methyl-12-benzo[a]anthracenyl)methyl]-6-purinamine IUPAC Name: 7-[(7-methylbenzo[a]anthracen-12-yl)methyl]purin-6-amine Traditional Name: [7-[(7-methylbenz[a]anthracen-12-yl)methyl]purin-6-yl]amine Formula: C25H19N5 MolecularWeight: 389.45186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N5/c1-15-17-7-4-5-9-20(17)21(12-30-14-29-25-23(30)24(26)27-13-28-25)22-18(15)11-10-16-6-2-3-8-19(16)22/h2-11,13-14H,12H2,1H3,(H2,26,27,28)