3-cyclohexyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 3-cyclohexyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 3-cyclohexyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 3-cyclohexyl-1-[[(2R)-2-oxolanyl]methyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea IUPAC Name: 3-cyclohexyl-1-[[(2R)-oxolan-2-yl]methyl]-1-[(4-oxo-1H-quinazolin-2-yl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-[(4-keto-1H-quinazolin-2-yl)methyl]-1-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N(CC2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)NC(=S)N(C[C@H]2CCCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H28N4O2S/c26-20-17-10-4-5-11-18(17)23-19(24-20)14-25(13-16-9-6-12-27-16)21(28)22-15-7-2-1-3-8-15/h4-5,10-11,15-16H,1-3,6-9,12-14H2,(H,22,28)(H,23,24,26)/t16-/m1/s1