N-[4-[[(7R)-8-(2,2-dimethylpropyl)-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[4-[[(7R)-8-(2,2-dimethylpropyl)-5,7-dimethyl-6-oxidanylidene-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[4-[[(7R)-8-(2,2-dimethylpropyl)-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[4-[[(7R)-8-(2,2-dimethylpropyl)-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[4-[[(7R)-8-(2,2-dimethylpropyl)-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[4-[[(7R)-6-keto-5,7-dimethyl-8-neopentyl-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazino)benzamide Formula: C32H42N8O3 MolecularWeight: 586.72768

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1CC(C)(C)C)NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)OC)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CN=C(N=C2N1CC(C)(C)C)NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)OC)C

InChI

InChI=1S/C32H42N8O3/c1-21-30(42)38(6)26-19-33-31(36-28(26)40(21)20-32(2,3)4)35-25-13-10-23(18-27(25)43-7)34-29(41)22-8-11-24(12-9-22)39-16-14-37(5)15-17-39/h8-13,18-19,21H,14-17,20H2,1-7H3,(H,34,41)(H,33,35,36)/t21-/m1/s1