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

Systemtic Name: N-[4-[[(7R)-7-ethyl-5-methyl-6-oxidanylidene-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[4-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxyphenyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[4-[[(7R)-7-ethyl-8-isopropyl-6-keto-5-methyl-7H-pteridin-2-yl]amino]-3-methoxy-phenyl]-4-(4-methylpiperazino)benzamide Formula: C31H40N8O3 MolecularWeight: 572.7011

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)OC)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C)OC)C

InChI

InChI=1S/C31H40N8O3/c1-7-25-30(41)37(5)26-19-32-31(35-28(26)39(25)20(2)3)34-24-13-10-22(18-27(24)42-6)33-29(40)21-8-11-23(12-9-21)38-16-14-36(4)15-17-38/h8-13,18-20,25H,7,14-17H2,1-6H3,(H,33,40)(H,32,34,35)/t25-/m1/s1