3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C15H16N6OS2 MolecularWeight: 360.45714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H16N6OS2/c1-8-2-3-9-10(6-8)24-15(18-9)21-13(22)4-5-23-14-19-11(16)7-12(17)20-14/h2-3,6-7H,4-5H2,1H3,(H,18,21,22)(H4,16,17,19,20)