N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-oxidanylpropyl)cyclohexanecarboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-oxidanylpropyl)cyclohexanecarboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(3-hydroxypropyl)cyclohexanecarboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(3-hydroxypropyl)cyclohexanecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-hydroxypropyl)cyclohexanecarboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(3-hydroxypropyl)cyclohexanecarboxamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CCCO)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CCCO)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H28N4O4/c22-18-17(24(12-7-13-26)20(28)16-10-5-2-6-11-16)19(27)23-21(29)25(18)14-15-8-3-1-4-9-15/h1,3-4,8-9,16,26H,2,5-7,10-14,22H2,(H,23,27,29)