3-[[4-[(4-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]propan-1-ol

Systemtic Name: 3-[[4-[(4-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]propan-1-ol Openeye Name: 3-[[4-(4-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]propan-1-ol CAS Name: 3-[[4-(4-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]-1-propanol IUPAC Name: 3-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]propan-1-ol Traditional Name: 3-[[4-methyl-5-nitro-6-(p-anisidino)pyrimidin-2-yl]amino]propan-1-ol Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCCCO)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NCCCO)NC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4/c1-10-13(20(22)23)14(19-15(17-10)16-8-3-9-21)18-11-4-6-12(24-2)7-5-11/h4-7,21H,3,8-9H2,1-2H3,(H2,16,17,18,19)