2-azanyl-4-[4-[(5-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-3-chloranyl-thiophen-2-yl]carbonyl-5-chloranyl-3-methoxy-benzamide

Systemtic Name: 2-azanyl-4-[4-[(5-azanyl-2-oxidanylidene-pyrimidin-1-yl)methyl]-3-chloranyl-thiophen-2-yl]carbonyl-5-chloranyl-3-methoxy-benzamide Openeye Name: 2-amino-4-[4-[(5-amino-2-oxo-pyrimidin-1-yl)methyl]-3-chloro-thiophene-2-carbonyl]-5-chloro-3-methoxy-benzamide CAS Name: 2-amino-4-[[4-[(5-amino-2-oxo-1-pyrimidinyl)methyl]-3-chloro-2-thiophenyl]-oxomethyl]-5-chloro-3-methoxybenzamide IUPAC Name: 2-amino-4-[4-[(5-amino-2-oxopyrimidin-1-yl)methyl]-3-chlorothiophene-2-carbonyl]-5-chloro-3-methoxybenzamide Traditional Name: 2-amino-4-[4-[(5-amino-2-keto-pyrimidin-1-yl)methyl]-3-chloro-thiophene-2-carbonyl]-5-chloro-3-methoxy-benzamide Formula: C18H15Cl2N5O4S MolecularWeight: 468.3138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1C(=O)C2=C(C(=CS2)CN3C=C(C=NC3=O)N)Cl)Cl)C(=O)N)N

Isomeric SMILES

COC1=C(C(=CC(=C1C(=O)C2=C(C(=CS2)CN3C=C(C=NC3=O)N)Cl)Cl)C(=O)N)N

InChI

InChI=1S/C18H15Cl2N5O4S/c1-29-15-11(10(19)2-9(13(15)22)17(23)27)14(26)16-12(20)7(6-30-16)4-25-5-8(21)3-24-18(25)28/h2-3,5-6H,4,21-22H2,1H3,(H2,23,27)