4-[2,4-bis(oxidanylidene)-3-phenyl-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-1-yl]butanenitrile

Systemtic Name: 4-[2,4-bis(oxidanylidene)-3-phenyl-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-1-yl]butanenitrile Openeye Name: 4-(2,4-dioxo-3-phenyl-7-pyrrolidin-1-yl-pyrimido[4,5-d]pyrimidin-1-yl)butanenitrile CAS Name: 4-[2,4-dioxo-3-phenyl-7-(1-pyrrolidinyl)-1-pyrimido[4,5-d]pyrimidinyl]butanenitrile IUPAC Name: 4-(2,4-dioxo-3-phenyl-7-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-1-yl)butanenitrile Traditional Name: 4-(2,4-diketo-3-phenyl-7-pyrrolidino-pyrimido[4,5-d]pyrimidin-1-yl)butyronitrile Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C3C(=N2)N(C(=O)N(C3=O)C4=CC=CC=C4)CCCC#N

Isomeric SMILES

C1CCN(C1)C2=NC=C3C(=N2)N(C(=O)N(C3=O)C4=CC=CC=C4)CCCC#N

InChI

InChI=1S/C20H20N6O2/c21-10-4-5-13-25-17-16(14-22-19(23-17)24-11-6-7-12-24)18(27)26(20(25)28)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,11-13H2