3-(1-adamantylcarbamoylamino)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-propyl-propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-propyl-propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-propylpropanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylpropanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-propyl-propionamide Formula: C28H38N6O4 MolecularWeight: 522.63912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38N6O4/c1-2-10-33(23-24(29)34(27(38)31-25(23)36)17-18-6-4-3-5-7-18)22(35)8-9-30-26(37)32-28-14-19-11-20(15-28)13-21(12-19)16-28/h3-7,19-21H,2,8-17,29H2,1H3,(H2,30,32,37)(H,31,36,38)