4-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-amino]methyl]benzamide

Systemtic Name: 4-[[[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-ethyl-amino]methyl]benzamide Openeye Name: 4-[[(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]methyl]benzamide CAS Name: 4-[[[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-ethylamino]methyl]benzamide IUPAC Name: 4-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]benzamide Traditional Name: 4-[[(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]methyl]benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C(=O)N)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C(=O)N)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O3/c1-2-25(12-15-8-10-16(11-9-15)19(23)27)17-18(22)26(21(29)24-20(17)28)13-14-6-4-3-5-7-14/h3-11H,2,12-13,22H2,1H3,(H2,23,27)(H,24,28,29)