N-[(3S)-1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(3S)-1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(3S)-1-[5-(p-tolylmethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(3S)-1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-pyrrolidinyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[(3S)-1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(3S)-1-[5-(4-methylbenzyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C19H20N8S MolecularWeight: 392.4807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NN=C(S2)N3CCC(C3)NC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NN=C(S2)N3CC[C@@H](C3)NC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C19H20N8S/c1-12-2-4-13(5-3-12)8-16-24-26-19(28-16)27-7-6-14(10-27)23-17-15-9-22-25-18(15)21-11-20-17/h2-5,9,11,14H,6-8,10H2,1H3,(H2,20,21,22,23,25)/t14-/m0/s1