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

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butylpropanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butylpropanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-propionamide Formula: C29H40N6O4 MolecularWeight: 536.6657

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N6O4/c1-2-3-11-34(24-25(30)35(28(39)32-26(24)37)18-19-7-5-4-6-8-19)23(36)9-10-31-27(38)33-29-15-20-12-21(16-29)14-22(13-20)17-29/h4-8,20-22H,2-3,9-18,30H2,1H3,(H2,31,33,38)(H,32,37,39)