N-[1-(1,3-benzoxazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[2-methyl-6-oxidanylidene-5-(2-piperidin-4-ylethylsulfonylamino)pyrimidin-1-yl]ethanamide

Systemtic Name: N-[1-(1,3-benzoxazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-2-[2-methyl-6-oxidanylidene-5-(2-piperidin-4-ylethylsulfonylamino)pyrimidin-1-yl]ethanamide Openeye Name: N-[1-(1,3-benzoxazole-2-carbonyl)-4-guanidino-butyl]-2-[2-methyl-6-oxo-5-[2-(4-piperidyl)ethylsulfonylamino]pyrimidin-1-yl]acetamide CAS Name: N-[1-(1,3-benzoxazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-methyl-6-oxo-5-[2-(4-piperidinyl)ethylsulfonylamino]-1-pyrimidinyl]acetamide IUPAC Name: N-[1-(1,3-benzoxazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[2-methyl-6-oxo-5-(2-piperidin-4-ylethylsulfonylamino)pyrimidin-1-yl]acetamide Traditional Name: N-[1-(1,3-benzoxazole-2-carbonyl)-4-guanidino-butyl]-2-[6-keto-2-methyl-5-[2-(4-piperidyl)ethylsulfonylamino]pyrimidin-1-yl]acetamide Formula: C27H37N9O6S MolecularWeight: 615.70438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=O)N1CC(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3O2)NS(=O)(=O)CCC4CCNCC4

Isomeric SMILES

CC1=NC=C(C(=O)N1CC(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3O2)NS(=O)(=O)CCC4CCNCC4

InChI

InChI=1S/C27H37N9O6S/c1-17-32-15-21(35-43(40,41)14-10-18-8-12-30-13-9-18)26(39)36(17)16-23(37)33-20(6-4-11-31-27(28)29)24(38)25-34-19-5-2-3-7-22(19)42-25/h2-3,5,7,15,18,20,30,35H,4,6,8-14,16H2,1H3,(H,33,37)(H4,28,29,31)