N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxidanylidene-5-(phenethylamino)-2-phenylsulfanyl-pyrimidin-1-yl]ethanamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxidanylidene-5-(phenethylamino)-2-phenylsulfanyl-pyrimidin-1-yl]ethanamide hydrochloride Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(phenethylamino)-2-phenylsulfanyl-pyrimidin-1-yl]acetamide hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(phenethylamino)-2-(phenylthio)-1-pyrimidinyl]acetamide hydrochloride IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(phenethylamino)-2-phenylsulfanylpyrimidin-1-yl]acetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-[6-keto-5-(phenethylamino)-2-(phenylthio)pyrimidin-1-yl]acetamide hydrochloride Formula: C28H29ClN6O2S MolecularWeight: 549.08686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CN=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)SC4=CC=CC=C4.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CN=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)SC4=CC=CC=C4.Cl

InChI

InChI=1S/C28H28N6O2S.ClH/c29-26(30)22-13-11-21(12-14-22)17-32-25(35)19-34-27(36)24(31-16-15-20-7-3-1-4-8-20)18-33-28(34)37-23-9-5-2-6-10-23;/h1-14,18,31H,15-17,19H2,(H3,29,30)(H,32,35);1H