3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H15N5OS/c15-11-7-12(16)19-14(18-11)21-10-6-5-8-3-1-2-4-9(8)17-13(10)20/h1-4,7,10H,5-6H2,(H,17,20)(H4,15,16,18,19)