N-[4-[[(7R)-8-cyclopentyl-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-cyclopentyl-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-cyclopentyl-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-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[4-[[(7R)-8-cyclopentyl-5,7-dimethyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[4-[[(7R)-8-cyclopentyl-6-keto-5,7-dimethyl-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazino)benzamide Formula: C32H40N8O3 MolecularWeight: 584.7118

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)NC(=O)C5=CC=C(C=C5)N6CCN(CC6)C)OC)C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)NC(=O)C5=CC=C(C=C5)N6CCN(CC6)C)OC)C

InChI

InChI=1S/C32H40N8O3/c1-21-31(42)38(3)27-20-33-32(36-29(27)40(21)25-7-5-6-8-25)35-26-14-11-23(19-28(26)43-4)34-30(41)22-9-12-24(13-10-22)39-17-15-37(2)16-18-39/h9-14,19-21,25H,5-8,15-18H2,1-4H3,(H,34,41)(H,33,35,36)/t21-/m1/s1