(6S)-2-azanyl-6-[4-(6-bromanyl-5-prop-1-ynyl-pyridazin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one

Systemtic Name: (6S)-2-azanyl-6-[4-(6-bromanyl-5-prop-1-ynyl-pyridazin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one Openeye Name: (6S)-2-amino-6-[4-(6-bromo-5-prop-1-ynyl-pyridazin-4-yl)-2-thienyl]-3,6-dimethyl-5H-pyrimidin-4-one CAS Name: (6S)-2-amino-6-[4-(6-bromo-5-prop-1-ynyl-4-pyridazinyl)-2-thiophenyl]-3,6-dimethyl-5H-pyrimidin-4-one IUPAC Name: (6S)-2-amino-6-[4-(6-bromo-5-prop-1-ynylpyridazin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one Traditional Name: (6S)-2-amino-6-[4-(6-bromo-5-prop-1-ynyl-pyridazin-4-yl)-2-thienyl]-3,6-dimethyl-5H-pyrimidin-4-one Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(N=NC=C1C2=CSC(=C2)C3(CC(=O)N(C(=N3)N)C)C)Br

Isomeric SMILES

CC#CC1=C(N=NC=C1C2=CSC(=C2)[C@@]3(CC(=O)N(C(=N3)N)C)C)Br

InChI

InChI=1S/C17H16BrN5OS/c1-4-5-11-12(8-20-22-15(11)18)10-6-13(25-9-10)17(2)7-14(24)23(3)16(19)21-17/h6,8-9H,7H2,1-3H3,(H2,19,21)/t17-/m0/s1