3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-phenothiazin-10-yl-propan-1-one

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-phenothiazin-10-yl-propan-1-one Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-phenothiazin-10-yl-propan-1-one CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-1-(10-phenothiazinyl)-1-propanone IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylpropan-1-one Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-1-phenothiazin-10-yl-propan-1-one Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CCSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C19H17N5OS2/c20-16-11-17(21)23-19(22-16)26-10-9-18(25)24-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)24/h1-8,11H,9-10H2,(H4,20,21,22,23)