2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]

Systemtic Name: 2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] Openeye Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] CAS Name: 2-(phenylmethylthio)-4-(1-pyrrolidinyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] IUPAC Name: 2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] Traditional Name: 2-(benzylthio)-4-pyrrolidino-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane] Formula: C27H29N3S MolecularWeight: 427.60426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6

InChI

InChI=1S/C27H29N3S/c1-2-10-20(11-3-1)19-31-26-28-24-22-13-5-4-12-21(22)18-27(14-6-7-15-27)23(24)25(29-26)30-16-8-9-17-30/h1-5,10-13H,6-9,14-19H2