5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(3-isopropoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-(3-propan-2-yloxypropyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-isopropoxypropyl)amine Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N6O3/c1-17(2)30-14-6-9-22-20-19(27(28)29)21(24-16-23-20)26-12-10-25(11-13-26)15-18-7-4-3-5-8-18/h3-5,7-8,16-17H,6,9-15H2,1-2H3,(H,22,23,24)