(6R)-4-methyl-N-phenyl-6-pyridin-3-yl-2-sulfanylidene-3,,6-dihydro-1H

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	324.40014 [g/mol]
Molecular Formula	C17H16N4OS
XLogP	0.9
H-Bond Donor	3
H-Bond Acceptor	2
Rotatable Bond Count	3
Tautomer Count	12
Exact Mass	324.104482
MonoIsotopic Mass	324.104482
Topological Polar Surface Area	66.1
Heavy Atom Count	23
Formal Charge	0
Complexity	499
Isotope Atom Count	0
Defined Atom StereoCenter Count	1
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: (6R)-4-methyl-N-phenyl-6-pyridin-3-yl-2-sulfanylidene-3,
6-dihydro-1H-pyrimidine-5-carboxamide
Canonical SMILES: CC1=C(C(NC(=S)N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3
Isomeric SMILES: CC1=C([C@H](NC(=S)N1)C2=CN=CC=C2)C(=O)NC3=CC=CC=C3
InChI: InChI=1/C17H16N4OS/c1-11-14(16(22)20-13-7-3-2-4-8-13)15(21-17(23)19-11)
12-6-5-9-18-10-12/h2-10,15H,1H3,(H,20,22)(H2,19,21,
23)/t15-/m1/s1/f/h19-21H