3-[6-(4-methoxyphenyl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl]propanenitrile

Systemtic Name: 3-[6-(4-methoxyphenyl)-7-oxidanylidene-2-piperazin-1-yl-pteridin-8-yl]propanenitrile Openeye Name: 3-[6-(4-methoxyphenyl)-7-oxo-2-piperazin-1-yl-pteridin-8-yl]propanenitrile CAS Name: 3-[6-(4-methoxyphenyl)-7-oxo-2-(1-piperazinyl)-8-pteridinyl]propanenitrile IUPAC Name: 3-[6-(4-methoxyphenyl)-7-oxo-2-piperazin-1-ylpteridin-8-yl]propanenitrile Traditional Name: 3-[7-keto-6-(4-methoxyphenyl)-2-piperazino-pteridin-8-yl]propionitrile Formula: C20H21N7O2 MolecularWeight: 391.42644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)N4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N(C2=O)CCC#N)N4CCNCC4

InChI

InChI=1S/C20H21N7O2/c1-29-15-5-3-14(4-6-15)17-19(28)27(10-2-7-21)18-16(24-17)13-23-20(25-18)26-11-8-22-9-12-26/h3-6,13,22H,2,8-12H2,1H3