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

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-yl]amine Formula: C19H23N7S MolecularWeight: 381.49782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C19H23N7S/c20-17-14-6-2-3-7-15(14)21-16(22-17)12-27-19-24-23-18(26(19)13-8-9-13)25-10-4-1-5-11-25/h2-3,6-7,13H,1,4-5,8-12H2,(H2,20,21,22)