N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-8-yl)isoquinoline-1-carboxamide

Systemtic Name: N-(4-oxidanylidene-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-8-yl)isoquinoline-1-carboxamide Openeye Name: N-(4-oxo-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-8-yl)isoquinoline-1-carboxamide CAS Name: N-[4-oxo-2-(4-pyrimidinyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-8-yl]-1-isoquinolinecarboxamide IUPAC Name: N-(4-oxo-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-8-yl)isoquinoline-1-carboxamide Traditional Name: N-[4-keto-2-(4-pyrimidyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-8-yl]isoquinoline-1-carboxamide Formula: C21H16N6O2 MolecularWeight: 384.39074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=O)C=C(N=C2C1NC(=O)C3=NC=CC4=CC=CC=C43)C5=NC=NC=C5

Isomeric SMILES

C1CN2C(=O)C=C(N=C2C1NC(=O)C3=NC=CC4=CC=CC=C43)C5=NC=NC=C5

InChI

InChI=1S/C21H16N6O2/c28-18-11-17(15-6-8-22-12-24-15)25-20-16(7-10-27(18)20)26-21(29)19-14-4-2-1-3-13(14)5-9-23-19/h1-6,8-9,11-12,16H,7,10H2,(H,26,29)