3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-5-(phenylmethyl)-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-5-(phenylmethyl)-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-benzyl-3-[2-(3-methoxyphenyl)-2-oxo-ethyl]-4-oxo-6-piperazin-1-yl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-5-(phenylmethyl)-6-(1-piperazinyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-benzyl-3-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-6-piperazin-1-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-benzyl-4-keto-3-[2-keto-2-(3-methoxyphenyl)ethyl]-6-piperazino-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C(C2=O)N(C(=C3C#N)N4CCNCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CN2C=NC3=C(C2=O)N(C(=C3C#N)N4CCNCC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O3/c1-36-21-9-5-8-20(14-21)23(34)17-32-18-30-24-22(15-28)26(31-12-10-29-11-13-31)33(25(24)27(32)35)16-19-6-3-2-4-7-19/h2-9,14,18,29H,10-13,16-17H2,1H3