6-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N)[N+](=O)[O-])[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN6O2/c22-17-8-6-16(7-9-17)18(15-4-2-1-3-5-15)26-10-12-27(13-11-26)21-19(28(29)30)20(23)24-14-25-21/h1-9,14,18H,10-13H2,(H2,23,24,25)/t18-/m1/s1