N2-(1,3-benzothiazol-6-yl)-N4-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-N4-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-N4-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-N4-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-4-N-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[4-(cyclopentylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C18H18N6S MolecularWeight: 350.44072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C18H18N6S/c1-2-4-11(3-1)21-17-13-7-8-19-16(13)23-18(24-17)22-12-5-6-14-15(9-12)25-10-20-14/h5-11H,1-4H2,(H3,19,21,22,23,24)