N-[8-(2-azanylpyrimidin-4-yl)-9-cyclopropyl-purin-2-yl]isoquinolin-5-amine

Systemtic Name: N-[8-(2-azanylpyrimidin-4-yl)-9-cyclopropyl-purin-2-yl]isoquinolin-5-amine Openeye Name: N-[8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-purin-2-yl]isoquinolin-5-amine CAS Name: N-[8-(2-amino-4-pyrimidinyl)-9-cyclopropyl-2-purinyl]-5-isoquinolinamine IUPAC Name: N-[8-(2-aminopyrimidin-4-yl)-9-cyclopropylpurin-2-yl]isoquinolin-5-amine Traditional Name: [8-(2-aminopyrimidin-4-yl)-9-cyclopropyl-purin-2-yl]-(5-isoquinolyl)amine Formula: C21H17N9 MolecularWeight: 395.41998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CN=C(N=C32)NC4=CC=CC5=C4C=CN=C5)C6=NC(=NC=C6)N

Isomeric SMILES

C1CC1N2C(=NC3=CN=C(N=C32)NC4=CC=CC5=C4C=CN=C5)C6=NC(=NC=C6)N

InChI

InChI=1S/C21H17N9/c22-20-24-9-7-16(27-20)18-26-17-11-25-21(29-19(17)30(18)13-4-5-13)28-15-3-1-2-12-10-23-8-6-14(12)15/h1-3,6-11,13H,4-5H2,(H2,22,24,27)(H,25,28,29)