1-phenyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]amino]ethanol

Systemtic Name: 1-phenyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]amino]ethanol Openeye Name: 1-phenyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]amino]ethanol CAS Name: 1-phenyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-4-pyrimidinyl]amino]ethanol IUPAC Name: 1-phenyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]amino]ethanol Traditional Name: 1-phenyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]amino]ethanol Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1C=CC(=C2)NC3=NC=CC(=N3)NCC(C4=CC=CC=C4)O

Isomeric SMILES

C1CNCC2=C1C=CC(=C2)NC3=NC=CC(=N3)NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C21H23N5O/c27-19(16-4-2-1-3-5-16)14-24-20-9-11-23-21(26-20)25-18-7-6-15-8-10-22-13-17(15)12-18/h1-7,9,11-12,19,22,27H,8,10,13-14H2,(H2,23,24,25,26)