N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-4-oxidanylidene-7-phenyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-4-oxidanylidene-7-phenyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-4-oxo-7-phenyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-5-methyl-4-oxo-7-phenyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methyl-4-oxo-7-phenyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-N-[4-[4-(2-methoxyphenyl)piperazino]butyl]-5-methyl-7-phenyl-1H-pyrrolo[2,3-d]pyrimidine-6-carboxamide Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=O)N=CN2)C3=CC=CC=C3)C(=O)NCCCCN4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=C(N(C2=C1C(=O)N=CN2)C3=CC=CC=C3)C(=O)NCCCCN4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H34N6O3/c1-21-25-27(31-20-32-28(25)36)35(22-10-4-3-5-11-22)26(21)29(37)30-14-8-9-15-33-16-18-34(19-17-33)23-12-6-7-13-24(23)38-2/h3-7,10-13,20H,8-9,14-19H2,1-2H3,(H,30,37)(H,31,32,36)