N-[6-azanyl-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[6-amino-2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[6-amino-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[6-amino-2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[6-amino-2-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C18H16ClN5O3S2 MolecularWeight: 449.93434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H16ClN5O3S2/c1-9-4-5-10(7-11(9)19)21-13(25)8-29-18-23-15(20)14(17(27)24-18)22-16(26)12-3-2-6-28-12/h2-7H,8H2,1H3,(H,21,25)(H,22,26)(H3,20,23,24,27)