ethyl 5,7-bis(oxidanylidene)-1-(3-pyridin-3-ylphenyl)-6-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]carbamoyl]-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5,7-bis(oxidanylidene)-1-(3-pyridin-3-ylphenyl)-6-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]carbamoyl]-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate Openeye Name: ethyl 5,7-dioxo-1-[3-(3-pyridyl)phenyl]-6-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]carbamoyl]-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate CAS Name: 5,7-dioxo-6-[oxo-[4-[2-(1-pyrrolidinylmethyl)phenyl]anilino]methyl]-1-[3-(3-pyridinyl)phenyl]-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,7-dioxo-1-(3-pyridin-3-ylphenyl)-6-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]carbamoyl]-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylate Traditional Name: 5,7-diketo-1-[3-(3-pyridyl)phenyl]-6-[[4-[2-(pyrrolidinomethyl)phenyl]phenyl]carbamoyl]-4H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid ethyl ester Formula: C37H33N7O5 MolecularWeight: 655.70182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1NC(=O)N(C2=O)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4CN5CCCC5)C6=CC=CC(=C6)C7=CN=CC=C7

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1NC(=O)N(C2=O)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4CN5CCCC5)C6=CC=CC(=C6)C7=CN=CC=C7

InChI

InChI=1S/C37H33N7O5/c1-2-49-35(46)32-31-33(44(41-32)29-12-7-10-25(21-29)26-11-8-18-38-22-26)34(45)43(37(48)40-31)36(47)39-28-16-14-24(15-17-28)30-13-4-3-9-27(30)23-42-19-5-6-20-42/h3-4,7-18,21-22H,2,5-6,19-20,23H2,1H3,(H,39,47)(H,40,48)