1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

Systemtic Name: 1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone Openeye Name: 1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone CAS Name: 1-[4-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-1-piperazinyl]-2-(1H-indol-3-yl)ethanone IUPAC Name: 1-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone Traditional Name: 1-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperazino]-2-(1H-indol-3-yl)ethanone Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C(=O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)C(=O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H23N7O3/c29-19(11-14-12-22-17-4-2-1-3-16(14)17)26-7-9-27(10-8-26)21-23-13-18(28(30)31)20(25-21)24-15-5-6-15/h1-4,12-13,15,22H,5-11H2,(H,23,24,25)