9-chloranyl-2-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione

Systemtic Name: 9-chloranyl-2-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Openeye Name: 9-chloro-2-[(6-pyrrolidin-1-yl-3-pyridyl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione CAS Name: 9-chloro-2-[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione IUPAC Name: 9-chloro-2-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Traditional Name: 9-chloro-2-[(6-pyrrolidino-3-pyridyl)amino]-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione Formula: C21H19ClN6S MolecularWeight: 422.93376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)NC3=NC=C4CC(=S)NC5=C(C4=N3)C=CC(=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)NC3=NC=C4CC(=S)NC5=C(C4=N3)C=CC(=C5)Cl

InChI

InChI=1S/C21H19ClN6S/c22-14-3-5-16-17(10-14)26-19(29)9-13-11-24-21(27-20(13)16)25-15-4-6-18(23-12-15)28-7-1-2-8-28/h3-6,10-12H,1-2,7-9H2,(H,26,29)(H,24,25,27)