1-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]thiourea

Systemtic Name: 1-[[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methyl]thiourea Openeye Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylthiourea CAS Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]methylthiourea IUPAC Name: [4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]methylthiourea Traditional Name: [4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]methylthiourea Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CNC(=S)N)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1CNC(=S)N)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17N5O2S/c1-12-16(11-21-19(20)27)17(14-8-5-9-15(10-14)24(25)26)23-18(22-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H3,20,21,27)