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

Systemtic Name: 2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Openeye Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] CAS Name: 2-(phenylmethylthio)-4-(1-pyrrolidinyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] IUPAC Name: 2-benzylsulfanyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Traditional Name: 2-(benzylthio)-4-pyrrolidino-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Formula: C28H31N3S MolecularWeight: 441.63084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)N6CCCC6

InChI

InChI=1S/C28H31N3S/c1-3-11-21(12-4-1)20-32-27-29-25-23-14-6-5-13-22(23)19-28(15-7-2-8-16-28)24(25)26(30-27)31-17-9-10-18-31/h1,3-6,11-14H,2,7-10,15-20H2