(3S)-2-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(2-amino-6-chloro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(2-amino-6-chloro-4-pyrimidinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(2-amino-6-chloropyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(2-amino-6-chloro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C14H14ClN5O MolecularWeight: 303.74686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=CC(=NC(=N3)N)Cl)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C3=CC(=NC(=N3)N)Cl)C(=O)N

InChI

InChI=1S/C14H14ClN5O/c15-11-6-12(19-14(17)18-11)20-7-9-4-2-1-3-8(9)5-10(20)13(16)21/h1-4,6,10H,5,7H2,(H2,16,21)(H2,17,18,19)/t10-/m0/s1