1-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-3-prop-2-enyl-urea

Systemtic Name: 1-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]urea CAS Name: 1-[(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-3-prop-2-enylurea IUPAC Name: 1-[(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]urea Formula: C18H29N5O MolecularWeight: 331.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC(=O)NCC=C)N2CCCCCCC2

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC(=O)NCC=C)N2CCCCCCC2

InChI

InChI=1S/C18H29N5O/c1-4-10-19-18(24)22-15(3)16-13-20-17(21-14(16)2)23-11-8-6-5-7-9-12-23/h4,13,15H,1,5-12H2,2-3H3,(H2,19,22,24)/t15-/m0/s1