2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-yl]amine Formula: C18H21N7S MolecularWeight: 367.47124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C18H21N7S/c19-16-13-5-1-2-6-14(13)20-15(21-16)11-26-18-23-22-17(24-9-3-4-10-24)25(18)12-7-8-12/h1-2,5-6,12H,3-4,7-11H2,(H2,19,20,21)