6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-[(2-methyl-8-quinolyl)oxy]-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-[(2-methyl-8-quinolinyl)oxy]-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(2-methylquinolin-8-yl)oxy-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-[(2-methyl-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4)C=C1

InChI

InChI=1S/C20H17N5O3S/c1-13-7-8-14-4-2-6-16(17(14)24-13)28-20-18(25(26)27)19(22-12-23-20)21-10-9-15-5-3-11-29-15/h2-8,11-12H,9-10H2,1H3,(H,21,22,23)