2-[(5-chloranyl-4-phenylazanyl-pyrimidin-2-yl)amino]-5-[3-(propan-2-ylamino)propoxy]phenol

Systemtic Name: 2-[(5-chloranyl-4-phenylazanyl-pyrimidin-2-yl)amino]-5-[3-(propan-2-ylamino)propoxy]phenol Openeye Name: 2-[(4-anilino-5-chloro-pyrimidin-2-yl)amino]-5-[3-(isopropylamino)propoxy]phenol CAS Name: 2-[(4-anilino-5-chloro-2-pyrimidinyl)amino]-5-[3-(propan-2-ylamino)propoxy]phenol IUPAC Name: 2-[(4-anilino-5-chloropyrimidin-2-yl)amino]-5-[3-(propan-2-ylamino)propoxy]phenol Traditional Name: 2-[(4-anilino-5-chloro-pyrimidin-2-yl)amino]-5-[3-(isopropylamino)propoxy]phenol Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCOC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Cl)O

Isomeric SMILES

CC(C)NCCCOC1=CC(=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Cl)O

InChI

InChI=1S/C22H26ClN5O2/c1-15(2)24-11-6-12-30-17-9-10-19(20(29)13-17)27-22-25-14-18(23)21(28-22)26-16-7-4-3-5-8-16/h3-5,7-10,13-15,24,29H,6,11-12H2,1-2H3,(H2,25,26,27,28)