4-(phenethylamino)-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide

Systemtic Name: 4-(phenethylamino)-N-(phenylmethyl)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(phenethylamino)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(phenethylamino)-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)propylamino]-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(phenethylamino)-2-(3-pyrrolidin-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(phenethylamino)-2-(3-pyrrolidinopropylamino)pyrimidine-5-carboxamide Formula: C27H34N6O MolecularWeight: 458.59846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCCNC2=NC=C(C(=N2)NCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H34N6O/c34-26(30-20-23-12-5-2-6-13-23)24-21-31-27(29-15-9-19-33-17-7-8-18-33)32-25(24)28-16-14-22-10-3-1-4-11-22/h1-6,10-13,21H,7-9,14-20H2,(H,30,34)(H2,28,29,31,32)