[2-[(4-methoxyphenyl)-methyl-amino]-6-morpholin-4-yl-7H-purin-8-yl]-(3-methylphenyl)methanone

Systemtic Name: [2-[(4-methoxyphenyl)-methyl-amino]-6-morpholin-4-yl-7H-purin-8-yl]-(3-methylphenyl)methanone Openeye Name: [2-(4-methoxy-N-methyl-anilino)-6-morpholino-7H-purin-8-yl]-(m-tolyl)methanone CAS Name: [2-(4-methoxy-N-methylanilino)-6-(4-morpholinyl)-7H-purin-8-yl]-(3-methylphenyl)methanone IUPAC Name: [2-(4-methoxy-N-methylanilino)-6-morpholin-4-yl-7H-purin-8-yl]-(3-methylphenyl)methanone Traditional Name: [2-(4-methoxy-N-methyl-anilino)-6-morpholino-7H-purin-8-yl]-(m-tolyl)methanone Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=NC3=C(N2)C(=NC(=N3)N(C)C4=CC=C(C=C4)OC)N5CCOCC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=NC3=C(N2)C(=NC(=N3)N(C)C4=CC=C(C=C4)OC)N5CCOCC5

InChI

InChI=1S/C25H26N6O3/c1-16-5-4-6-17(15-16)21(32)23-26-20-22(27-23)28-25(29-24(20)31-11-13-34-14-12-31)30(2)18-7-9-19(33-3)10-8-18/h4-10,15H,11-14H2,1-3H3,(H,26,27,28,29)