N-[(3S)-1-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)pyrrolidin-3-yl]benzamide

Systemtic Name: N-[(3S)-1-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)pyrrolidin-3-yl]benzamide Openeye Name: N-[(3S)-1-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)pyrrolidin-3-yl]benzamide CAS Name: N-[(3S)-1-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]-3-pyrrolidinyl]benzamide IUPAC Name: N-[(3S)-1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]benzamide Traditional Name: N-[(3S)-1-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]pyrrolidin-3-yl]benzamide Formula: C20H20N6O2 MolecularWeight: 376.4118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCC(C2)NC(=O)C3=CC=CC=C3)C4=NC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CC[C@@H](C2)NC(=O)C3=CC=CC=C3)C4=NC=NC=C4

InChI

InChI=1S/C20H20N6O2/c1-25-18(27)11-17(16-7-9-21-13-22-16)24-20(25)26-10-8-15(12-26)23-19(28)14-5-3-2-4-6-14/h2-7,9,11,13,15H,8,10,12H2,1H3,(H,23,28)/t15-/m0/s1