3-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C19H21N7O3/c27-19-22-14-3-1-2-4-15(14)25(19)13-7-9-24(10-8-13)18-20-11-16(26(28)29)17(23-18)21-12-5-6-12/h1-4,11-13H,5-10H2,(H,22,27)(H,20,21,23)