N2-(3-chloranyl-4-phenylmethoxy-phenyl)-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(3-chloranyl-4-phenylmethoxy-phenyl)-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Openeye Name: N2-(4-benzyloxy-3-chloro-phenyl)-N4-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine CAS Name: N2-(3-chloro-4-phenylmethoxyphenyl)-N4-[3-(1-pyrrolidinyl)propyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-chloro-4-phenylmethoxyphenyl)-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine Traditional Name: [2-(4-benzoxy-3-chloro-anilino)pyrimidin-4-yl]-(3-pyrrolidinopropyl)amine Formula: C24H28ClN5O MolecularWeight: 437.96502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC=C2)NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H28ClN5O/c25-21-17-20(9-10-22(21)31-18-19-7-2-1-3-8-19)28-24-27-13-11-23(29-24)26-12-6-16-30-14-4-5-15-30/h1-3,7-11,13,17H,4-6,12,14-16,18H2,(H2,26,27,28,29)