6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitro-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC=C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c1-3-8-19-17-16(24(25)26)18(21-13-20-17)23-11-9-22(10-12-23)14-4-6-15(27-2)7-5-14/h3-7,13H,1,8-12H2,2H3,(H,19,20,21)