4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N,N-dimethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N,N-dimethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N,N-dimethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N,N-dimethyl-1,4-diazepane-1-carboxamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)N(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)N(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-16-19(15-18-9-6-5-7-10-18)20(23-17(2)22-16)25-11-8-12-26(14-13-25)21(27)24(3)4/h5-7,9-10H,8,11-15H2,1-4H3