6-[4-(diphenylmethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N,N-bis(2-methoxyethyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N,N-bis(2-methoxyethyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N,N-bis(2-methoxyethyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N,N-bis(2-methoxyethyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C27H34N6O4 MolecularWeight: 506.59666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N6O4/c1-36-19-17-32(18-20-37-2)27-25(33(34)35)26(28-21-29-27)31-15-13-30(14-16-31)24(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24H,13-20H2,1-2H3